SCHEMBL2904850

SCHEMBL2904850

CN1CCC(NCC(c2ccc(-c3ccc4c(c3)OCCO4)cc2)c2c[nH]nc2-c2ccco2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.34
FLT3 P36888 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
APEX1 P27695 1/20 0.33
CASP1 P29466 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2904637 0.87 TP53 (0.33) SIRT1MAPTALDH1A1MEN1KMT2A
SCHEMBL2909769 0.86 ADRB2 (0.35) SIRT1MAPTMEN1KMT2A
SCHEMBL2908495 0.80 MCHR1 (0.35) NTRK1FLT3NTRK3NTRK2SIRT1
SCHEMBL2902633 0.75 BACE1 (0.37) FLT3MEN1KMT2AMAPK1KCNH2
SCHEMBL2908342 0.75 ITGB2 (0.38) SIRT1MAPTALDH1A1MEN1KMT2A
SCHEMBL2909115 0.75 PTK2 (0.36) SIRT1MAPTALDH1A1MEN1KMT2A
SCHEMBL2905003 0.74 SIRT1 (0.38) SIRT1MAPTALDH1A1MEN1KMT2A
SCHEMBL2904802 0.73 P4HB (0.38) SIRT1MAPTALDH1A1MEN1KMT2A
SCHEMBL2901687 0.72 TSHR (0.38) SIRT1MAPTALDH1A1MEN1KMT2A
SCHEMBL2908485 0.72 AKT1 (0.36) SIRT1MAPTALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A NTRK1 359/4885FLT3 1486/4885NTRK3 570/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.